N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine

C16H21NO2 — CID 62452440

IUPACN-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1cccc(C)c1C
InChIInChI=1S/C16H21NO2/c1-4-17-10-16-14(8-9-18-16)11-19-15-7-5-6-12(2)13(15)3/h5-9,17H,4,10-11H2,1-3H3
InChIKeyLALMEGZBGUOBJH-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.58
Rot. Bonds6

About N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine

N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62452440) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62452440
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COc1cccc(C)c1C
InChIInChI=1S/C16H21NO2/c1-4-17-10-16-14(8-9-18-16)11-19-15-7-5-6-12(2)13(15)3/h5-9,17H,4,10-11H2,1-3H3
InChIKeyLALMEGZBGUOBJH-UHFFFAOYSA-N
XLogP3.58
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62451814
N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62449622
1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 107661174
N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452788
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 107661326
N-[[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 79407348
N-[[3-[(4-bromophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453896
N-[[3-[(4-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452982
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 81341598
N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452007
N-[[4-[(2,3-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62453502

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (CID 62452440) is N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1COc1cccc(C)c1C.
What is the InChIKey of N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is LALMEGZBGUOBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-17-10-16-14(8-9-18-16)11-19-15-7-5-6-12(2)13(15)3/h5-9,17H,4,10-11H2,1-3H3.
What are the key properties of N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62452440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).